WTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C07 | N06 | sing | 1.35Å | 1.45Å | |
| O08 | C07 | doub | 1.21Å | 1.19Å | |
| C09 | C07 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| F15 | C14 | sing | 1.35Å | 1.37Å | |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| N18 | C09 | sing | 1.46Å | 1.43Å | |
| C19 | N18 | sing | 1.35Å | 1.43Å | |
| O20 | C19 | doub | 1.21Å | 1.20Å | |
| O21 | C19 | sing | 1.35Å | 1.39Å | |
| C22 | O21 | sing | 1.45Å | 1.40Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.46Å | 1.46Å | |
| C29 | C05 | sing | 1.51Å | 1.53Å | |
| O30 | C29 | doub | 1.21Å | 1.20Å | |
| N31 | C29 | sing | 1.35Å | 1.43Å | |
| C32 | N31 | sing | 1.47Å | 1.46Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.55Å | 1.49Å | |
| C36 | C35 | sing | 1.55Å | 1.48Å | |
| C37 | C36 | sing | 1.54Å | 1.53Å | |
| O38 | C37 | sing | 1.43Å | 1.47Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C39 | C32 | sing | 1.53Å | 1.50Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C41 | C40 | sing | 1.54Å | 1.47Å | |
| C42 | C41 | sing | 1.55Å | 1.52Å | |
| O43 | C42 | sing | 1.46Å | 1.45Å | |
| C44 | O43 | sing | 1.34Å | 1.43Å | |
| O45 | C44 | doub | 1.21Å | 1.17Å | |
| C11 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | O38 | sing | 1.44Å | 1.44Å | |
| C40 | C44 | sing | 1.51Å | 1.48Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H1 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 109.2° | 109.5° |
| C01 | C02 | C04 | 107.0° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.2° | 109.4° |
| C03 | C02 | C04 | 113.1° | 109.5° |
| C03 | C02 | H021 | 109.1° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C04 | C05 | 106.1° | 109.5° |
| C04 | C02 | H021 | 109.1° | 109.5° |
| C02 | C04 | H042 | 110.3° | 109.5° |
| C02 | C04 | H041 | 110.3° | 109.4° |
| C04 | C05 | N06 | 110.5° | 109.5° |
| C04 | C05 | C29 | 113.6° | 109.4° |
| C05 | C04 | H042 | 110.3° | 109.5° |
| C05 | C04 | H041 | 110.3° | 109.4° |
| C04 | C05 | H051 | 110.0° | 109.5° |
| N06 | C07 | O08 | 123.3° | 120.0° |
| N06 | C07 | C09 | 116.9° | 120.0° |
| C07 | N06 | C05 | 124.5° | 120.0° |
| C07 | N06 | H061 | 117.8° | 120.0° |
| O08 | C07 | C09 | 119.9° | 120.0° |
| C07 | C09 | C10 | 110.2° | 109.4° |
| C07 | C09 | N18 | 110.8° | 109.4° |
| C07 | C09 | H091 | 109.1° | 109.5° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C11 | C10 | C09 | 105.0° | 109.4° |
| C10 | C11 | C17 | 120.7° | 120.0° |
| C11 | C10 | H102 | 110.6° | 109.5° |
| C11 | C10 | H101 | 110.6° | 109.5° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | C17 | 119.7° | 120.0° |
| C11 | C12 | H121 | 119.8° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H131 | 120.1° | 120.0° |
| C13 | C12 | H121 | 119.8° | 120.0° |
| C13 | C14 | F15 | 120.0° | 120.0° |
| C13 | C14 | C16 | 119.9° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| F15 | C14 | C16 | 120.2° | 120.0° |
| C14 | C16 | C17 | 120.2° | 119.9° |
| C14 | C16 | H161 | 119.9° | 120.0° |
| C16 | C17 | C11 | 120.0° | 120.0° |
| C16 | C17 | H171 | 120.0° | 120.0° |
| C17 | C16 | H161 | 119.9° | 120.0° |
| C10 | C09 | N18 | 107.4° | 109.5° |
| C09 | C10 | H102 | 110.6° | 109.5° |
| C09 | C10 | H101 | 110.6° | 109.5° |
| C10 | C09 | H091 | 109.0° | 109.5° |
| C09 | N18 | C19 | 119.6° | 120.0° |
| N18 | C09 | H091 | 110.3° | 109.5° |
| C09 | N18 | H181 | 120.2° | 120.1° |
| N18 | C19 | O20 | 120.7° | 120.0° |
| N18 | C19 | O21 | 116.6° | 120.0° |
| C19 | N18 | H181 | 120.2° | 119.9° |
| O20 | C19 | O21 | 122.7° | 120.1° |
| C19 | O21 | C22 | 112.2° | 117.0° |
| O21 | C22 | C23 | 111.3° | 109.5° |
| O21 | C22 | H222 | 109.0° | 109.5° |
| O21 | C22 | H221 | 109.0° | 109.4° |
| C22 | C23 | C24 | 118.9° | 120.0° |
| C22 | C23 | C28 | 120.8° | 120.0° |
| C23 | C22 | H222 | 109.0° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.5° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | C28 | 120.3° | 120.0° |
| C23 | C24 | H241 | 120.0° | 119.9° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.1° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| C26 | C25 | H251 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C27 | C26 | H261 | 119.9° | 120.0° |
| C26 | C27 | H271 | 120.1° | 120.0° |
| C27 | C28 | C23 | 119.7° | 120.0° |
| C27 | C28 | H281 | 120.1° | 120.0° |
| C28 | C27 | H271 | 120.1° | 120.0° |
| N06 | C05 | C29 | 102.7° | 109.5° |
| N06 | C05 | H051 | 110.4° | 109.5° |
| C05 | N06 | H061 | 117.8° | 120.0° |
| C05 | C29 | O30 | 122.9° | 120.0° |
| C05 | C29 | N31 | 119.0° | 120.0° |
| C29 | C05 | H051 | 109.4° | 109.4° |
| O30 | C29 | N31 | 118.1° | 120.0° |
| C29 | N31 | C32 | 122.4° | 120.0° |
| C29 | N31 | H311 | 118.8° | 120.0° |
| N31 | C32 | C33 | 104.1° | 109.4° |
| N31 | C32 | C39 | 107.8° | 109.5° |
| N31 | C32 | H321 | 111.1° | 109.4° |
| C32 | N31 | H311 | 118.8° | 120.0° |
| C33 | C34 | C35 | 114.0° | 110.3° |
| C34 | C33 | C32 | 111.0° | 109.5° |
| C33 | C34 | O38 | 107.6° | 110.3° |
| C34 | C33 | H331 | 109.1° | 109.4° |
| C34 | C33 | H332 | 109.1° | 109.4° |
| C33 | C34 | H341 | 109.0° | 110.3° |
| C34 | C35 | C36 | 106.3° | 100.9° |
| C35 | C34 | O38 | 106.6° | 105.1° |
| C35 | C34 | H341 | 109.4° | 110.4° |
| C34 | C35 | H352 | 110.2° | 111.1° |
| C34 | C35 | H351 | 110.2° | 111.1° |
| C35 | C36 | C37 | 106.7° | 102.2° |
| C36 | C35 | H352 | 110.2° | 111.1° |
| C36 | C35 | H351 | 110.2° | 111.2° |
| C35 | C36 | H361 | 110.2° | 110.9° |
| C35 | C36 | H362 | 110.2° | 110.9° |
| C36 | C37 | O38 | 105.1° | 107.6° |
| C37 | C36 | H361 | 110.2° | 110.8° |
| C37 | C36 | H362 | 110.2° | 111.0° |
| C36 | C37 | H372 | 110.5° | 109.8° |
| C36 | C37 | H371 | 110.6° | 109.8° |
| C37 | O38 | C34 | 107.1° | 110.0° |
| O38 | C37 | H372 | 110.5° | 109.8° |
| O38 | C37 | H371 | 110.6° | 109.9° |
| C33 | C32 | C39 | 113.4° | 109.5° |
| C33 | C32 | H321 | 110.0° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | C33 | H332 | 109.1° | 109.5° |
| C32 | C39 | C40 | 107.3° | 109.5° |
| C39 | C32 | H321 | 110.4° | 109.5° |
| C32 | C39 | H1 | 110.0° | 109.4° |
| C32 | C39 | H391 | 110.0° | 109.4° |
| C39 | C40 | C41 | 127.2° | 110.3° |
| C39 | C40 | C44 | 122.7° | 110.3° |
| C40 | C39 | H1 | 110.0° | 109.5° |
| C40 | C39 | H391 | 110.0° | 109.5° |
| C39 | C40 | H2 | 94.5° | 110.3° |
| C40 | C41 | C42 | 105.9° | 102.2° |
| C41 | C40 | C44 | 108.1° | 104.8° |
| C41 | C40 | H2 | 94.6° | 110.5° |
| C40 | C41 | H411 | 110.4° | 110.9° |
| C40 | C41 | H412 | 110.4° | 110.9° |
| C41 | C42 | O43 | 107.7° | 104.4° |
| C42 | C41 | H411 | 110.3° | 110.9° |
| C42 | C41 | H412 | 110.3° | 111.0° |
| C41 | C42 | H422 | 109.9° | 110.4° |
| C41 | C42 | H421 | 109.9° | 110.5° |
| C42 | O43 | C44 | 109.1° | 109.9° |
| O43 | C42 | H422 | 109.9° | 110.5° |
| O43 | C42 | H421 | 109.9° | 110.5° |
| O43 | C44 | O45 | 127.3° | 125.1° |
| O43 | C44 | C40 | 108.7° | 109.8° |
| O45 | C44 | C40 | 124.0° | 125.1° |
| C11 | C17 | H171 | 120.0° | 120.0° |
| C23 | C28 | H281 | 120.2° | 120.0° |
| O38 | C34 | H341 | 110.2° | 110.3° |
| C44 | C40 | H2 | 94.6° | 110.4° |
| H102 | C10 | H101 | 109.4° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H352 | C35 | H351 | 109.5° | 111.0° |
| H361 | C36 | H362 | 109.4° | 110.8° |
| H372 | C37 | H371 | 109.5° | 109.8° |
| H1 | C39 | H391 | 109.4° | 109.5° |
| H411 | C41 | H412 | 109.5° | 110.8° |
| H422 | C42 | H421 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 119.0° | 120.0° |
| C01 | C02 | C03 | H021 | 119.3° | 119.9° |
| C01 | C02 | C04 | H021 | 118.1° | 119.9° |
| C01 | C02 | C04 | C05 | 174.9° | 66.5° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 180.0° | 60.0° |
| C01 | C02 | C03 | H033 | 60.0° | 180.0° |
| C01 | C02 | C03 | H031 | 60.0° | 60.0° |
| C01 | C02 | C04 | H042 | 65.6° | 173.5° |
| C01 | C02 | C04 | H041 | 55.4° | 53.4° |
| C03 | C02 | C04 | H021 | 121.7° | 120.1° |
| C03 | C02 | C04 | C05 | 64.9° | 173.5° |
| C03 | C02 | C01 | H013 | 180.0° | 65.5° |
| C03 | C02 | C01 | H012 | 60.0° | 54.5° |
| C03 | C02 | C01 | H011 | 60.0° | 174.5° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C03 | C02 | C04 | H042 | 54.6° | 53.5° |
| C03 | C02 | C04 | H041 | 175.6° | 66.6° |
| C02 | C04 | C05 | H042 | 119.5° | 120.0° |
| C02 | C04 | C05 | H041 | 119.5° | 119.9° |
| C02 | C04 | C05 | N06 | 62.0° | 174.5° |
| C02 | C04 | C05 | C29 | 176.8° | 65.5° |
| C04 | C02 | C01 | H013 | 57.3° | 54.6° |
| C04 | C02 | C01 | H012 | 62.8° | 174.5° |
| C04 | C02 | C01 | H011 | 177.3° | 65.5° |
| C04 | C02 | C03 | H032 | 61.0° | 60.0° |
| C04 | C02 | C03 | H033 | 179.0° | 60.0° |
| C04 | C02 | C03 | H031 | 59.0° | 180.0° |
| C02 | C04 | H042 | H041 | 121.6° | 120.0° |
| C02 | C04 | C05 | H051 | 60.2° | 54.4° |
| C04 | C05 | N06 | C07 | 176.0° | 88.5° |
| C04 | C05 | N06 | C29 | 121.5° | 120.0° |
| C04 | C05 | N06 | H051 | 121.9° | 120.0° |
| C04 | C05 | C29 | H051 | 123.3° | 120.0° |
| C04 | C05 | C29 | O30 | 80.4° | 101.2° |
| C04 | C05 | C29 | N31 | 101.0° | 78.8° |
| C05 | C04 | C02 | H021 | 56.8° | 53.4° |
| C05 | C04 | H042 | H041 | 121.6° | 120.0° |
| C04 | C05 | N06 | H061 | 4.1° | 91.6° |
| N06 | C07 | O08 | C09 | 179.4° | 180.0° |
| N06 | C07 | C09 | C10 | 111.7° | 60.0° |
| N06 | C07 | C09 | N18 | 129.6° | 180.0° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | C29 | 54.5° | 151.5° |
| C07 | N06 | C05 | H051 | 62.1° | 31.5° |
| N06 | C07 | C09 | H091 | 7.9° | 60.0° |
| O08 | C07 | C09 | C10 | 67.7° | 120.0° |
| O08 | C07 | C09 | N18 | 51.0° | 0.0° |
| O08 | C07 | N06 | C05 | 2.6° | 5.0° |
| O08 | C07 | C09 | H091 | 172.7° | 120.0° |
| O08 | C07 | N06 | H061 | 177.3° | 174.9° |
| C07 | C09 | C10 | C11 | 169.3° | 175.0° |
| C07 | C09 | C10 | N18 | 120.8° | 120.0° |
| C07 | C09 | C10 | H091 | 119.7° | 120.0° |
| C07 | C09 | N18 | H091 | 121.0° | 120.0° |
| C07 | C09 | N18 | C19 | 118.4° | 155.0° |
| C09 | C07 | N06 | C05 | 176.8° | 175.0° |
| C07 | C09 | C10 | H102 | 50.0° | 65.0° |
| C07 | C09 | C10 | H101 | 71.4° | 55.0° |
| C09 | C07 | N06 | H061 | 3.3° | 5.1° |
| C07 | C09 | N18 | H181 | 61.6° | 25.0° |
| C10 | C11 | C12 | C17 | 177.5° | 179.5° |
| C10 | C11 | C12 | C13 | 178.6° | 180.0° |
| C10 | C11 | C17 | C16 | 178.7° | 180.0° |
| C11 | C10 | C09 | H102 | 119.3° | 120.0° |
| C11 | C10 | C09 | H101 | 119.3° | 120.0° |
| C11 | C10 | C09 | N18 | 69.9° | 65.1° |
| C11 | C10 | H102 | H101 | 122.1° | 120.0° |
| C10 | C11 | C17 | H171 | 1.3° | 0.2° |
| C11 | C10 | C09 | H091 | 49.6° | 55.0° |
| C10 | C11 | C12 | H121 | 1.4° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.2° |
| C12 | C11 | C17 | C16 | 1.2° | 0.5° |
| C12 | C11 | C10 | C09 | 78.8° | 90.5° |
| C12 | C11 | C10 | H102 | 40.5° | 149.5° |
| C12 | C11 | C10 | H101 | 161.9° | 29.5° |
| C11 | C12 | C13 | H131 | 179.3° | 180.0° |
| C12 | C11 | C17 | H171 | 178.8° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | F15 | 179.8° | 180.0° |
| C12 | C13 | C14 | C16 | 0.3° | 0.0° |
| C13 | C12 | C11 | C17 | 1.1° | 0.5° |
| C13 | C14 | F15 | C16 | 179.6° | 180.0° |
| C13 | C14 | C16 | C17 | 0.4° | 0.0° |
| C14 | C13 | C12 | H121 | 179.4° | 179.7° |
| C13 | C14 | C16 | H161 | 179.6° | 179.7° |
| F15 | C14 | C16 | C17 | 180.0° | 180.0° |
| F15 | C14 | C13 | H131 | 0.1° | 0.2° |
| F15 | C14 | C16 | H161 | 0.0° | 0.3° |
| C14 | C16 | C17 | H161 | 180.0° | 179.7° |
| C14 | C16 | C17 | C11 | 0.9° | 0.3° |
| C16 | C14 | C13 | H131 | 179.7° | 179.8° |
| C14 | C16 | C17 | H171 | 179.1° | 179.9° |
| C16 | C17 | C11 | H171 | 180.0° | 179.8° |
| C10 | C09 | N18 | H091 | 118.6° | 120.1° |
| C10 | C09 | N18 | C19 | 121.2° | 85.0° |
| C09 | C10 | C11 | C17 | 98.7° | 90.0° |
| C09 | C10 | H102 | H101 | 122.0° | 120.0° |
| C10 | C09 | N18 | H181 | 58.8° | 94.9° |
| C09 | N18 | C19 | H181 | 180.0° | 179.9° |
| C09 | N18 | C19 | O20 | 4.5° | 0.0° |
| C09 | N18 | C19 | O21 | 174.1° | 179.9° |
| N18 | C09 | C10 | H102 | 170.8° | 55.0° |
| N18 | C09 | C10 | H101 | 49.4° | 174.9° |
| N18 | C19 | O20 | O21 | 178.5° | 180.0° |
| N18 | C19 | O21 | C22 | 177.1° | 180.0° |
| C19 | N18 | C09 | H091 | 2.6° | 35.1° |
| O20 | C19 | O21 | C22 | 1.5° | 0.1° |
| O20 | C19 | N18 | H181 | 175.5° | 180.0° |
| C19 | O21 | C22 | C23 | 96.3° | 180.0° |
| C19 | O21 | C22 | H222 | 24.0° | 59.9° |
| C19 | O21 | C22 | H221 | 143.5° | 60.0° |
| O21 | C19 | N18 | H181 | 5.9° | 0.0° |
| O21 | C22 | C23 | H222 | 120.3° | 120.0° |
| O21 | C22 | C23 | H221 | 120.3° | 120.0° |
| O21 | C22 | C23 | C24 | 95.2° | 89.9° |
| O21 | C22 | C23 | C28 | 86.7° | 90.0° |
| O21 | C22 | H222 | H221 | 119.1° | 119.9° |
| C22 | C23 | C24 | C28 | 178.2° | 180.0° |
| C22 | C23 | C24 | C25 | 179.3° | 179.7° |
| C22 | C23 | C28 | C27 | 179.0° | 179.4° |
| C23 | C22 | H222 | H221 | 119.1° | 120.0° |
| C22 | C23 | C24 | H241 | 0.7° | 0.1° |
| C22 | C23 | C28 | H281 | 1.0° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.6° | 0.1° |
| C24 | C23 | C28 | C27 | 0.9° | 0.6° |
| C24 | C23 | C22 | H222 | 25.1° | 150.0° |
| C24 | C23 | C22 | H221 | 144.6° | 30.0° |
| C24 | C23 | C28 | H281 | 179.1° | 180.0° |
| C23 | C24 | C25 | H251 | 179.4° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C23 | C28 | 1.2° | 0.2° |
| C24 | C25 | C26 | H261 | 179.7° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.6° | 0.3° |
| C26 | C25 | C24 | H241 | 179.5° | 179.7° |
| C25 | C26 | C27 | H271 | 179.4° | 179.7° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.0° | 0.6° |
| C26 | C27 | C28 | H281 | 180.0° | 180.0° |
| C27 | C26 | C25 | H251 | 179.7° | 179.9° |
| C27 | C28 | C23 | H281 | 180.0° | 179.4° |
| C28 | C27 | C26 | H261 | 179.4° | 179.7° |
| N06 | C05 | C29 | H051 | 117.3° | 120.0° |
| N06 | C05 | C29 | O30 | 39.0° | 18.8° |
| N06 | C05 | C29 | N31 | 139.7° | 161.2° |
| N06 | C05 | C04 | H042 | 178.5° | 65.5° |
| N06 | C05 | C04 | H041 | 57.5° | 54.5° |
| C05 | C29 | O30 | N31 | 178.6° | 180.0° |
| C05 | C29 | N31 | C32 | 176.4° | 175.6° |
| C29 | C05 | C04 | H042 | 63.8° | 54.5° |
| C29 | C05 | C04 | H041 | 57.3° | 174.5° |
| C29 | C05 | N06 | H061 | 125.5° | 28.4° |
| C05 | C29 | N31 | H311 | 3.6° | 4.5° |
| O30 | C29 | N31 | C32 | 2.2° | 4.4° |
| O30 | C29 | C05 | H051 | 156.3° | 138.8° |
| O30 | C29 | N31 | H311 | 177.7° | 175.5° |
| C29 | N31 | C32 | H311 | 180.0° | 179.9° |
| C29 | N31 | C32 | C33 | 102.7° | 155.0° |
| C29 | N31 | C32 | C39 | 136.7° | 84.9° |
| N31 | C29 | C05 | H051 | 22.3° | 41.2° |
| C29 | N31 | C32 | H321 | 15.6° | 35.1° |
| N31 | C32 | C33 | C34 | 166.8° | 65.0° |
| N31 | C32 | C33 | C39 | 116.8° | 120.0° |
| N31 | C32 | C33 | H321 | 119.1° | 119.9° |
| N31 | C32 | C39 | H321 | 121.4° | 120.0° |
| N31 | C32 | C39 | C40 | 82.9° | 65.0° |
| N31 | C32 | C33 | H331 | 73.0° | 55.0° |
| N31 | C32 | C33 | H332 | 46.5° | 175.0° |
| N31 | C32 | C39 | H1 | 157.4° | 175.0° |
| N31 | C32 | C39 | H391 | 36.7° | 55.0° |
| C33 | C34 | C35 | O38 | 118.5° | 118.9° |
| C33 | C34 | C35 | H341 | 122.3° | 122.2° |
| C33 | C34 | C35 | C36 | 139.2° | 155.4° |
| C33 | C34 | O38 | C37 | 151.9° | 143.4° |
| C34 | C33 | C32 | H331 | 120.2° | 120.0° |
| C34 | C33 | C32 | H332 | 120.2° | 120.0° |
| C34 | C33 | C32 | C39 | 76.4° | 175.0° |
| C33 | C34 | O38 | H341 | 118.7° | 122.0° |
| C34 | C33 | C32 | H321 | 47.7° | 54.9° |
| C34 | C33 | H331 | H332 | 119.3° | 119.9° |
| C33 | C34 | C35 | H352 | 101.3° | 86.8° |
| C33 | C34 | C35 | H351 | 19.7° | 37.4° |
| C34 | C35 | C36 | H352 | 119.5° | 117.9° |
| C34 | C35 | C36 | H351 | 119.5° | 117.9° |
| C34 | C35 | C36 | C37 | 4.5° | 34.1° |
| C35 | C34 | O38 | C37 | 29.3° | 24.4° |
| C35 | C34 | C33 | C32 | 71.8° | 177.9° |
| C35 | C34 | O38 | H341 | 118.7° | 119.0° |
| C35 | C34 | C33 | H331 | 168.0° | 57.8° |
| C35 | C34 | C33 | H332 | 48.4° | 62.1° |
| C34 | C35 | H352 | H351 | 121.4° | 124.2° |
| C34 | C35 | C36 | H361 | 115.1° | 84.0° |
| C34 | C35 | C36 | H362 | 124.1° | 152.5° |
| C35 | C36 | C37 | H361 | 119.6° | 118.2° |
| C35 | C36 | C37 | H362 | 119.6° | 118.3° |
| C35 | C36 | C37 | O38 | 12.8° | 21.4° |
| C36 | C35 | C34 | O38 | 20.7° | 36.4° |
| C36 | C35 | C34 | H341 | 98.5° | 82.5° |
| C36 | C35 | H352 | H351 | 121.5° | 124.3° |
| C35 | C36 | H361 | H362 | 121.2° | 123.5° |
| C35 | C36 | C37 | H372 | 106.5° | 140.9° |
| C35 | C36 | C37 | H371 | 132.1° | 98.3° |
| C36 | C37 | O38 | H372 | 119.3° | 119.6° |
| C36 | C37 | O38 | H371 | 119.3° | 119.6° |
| C36 | C37 | O38 | C34 | 25.9° | 1.7° |
| C37 | C36 | C35 | H352 | 124.0° | 152.0° |
| C37 | C36 | C35 | H351 | 115.0° | 83.8° |
| C37 | C36 | H361 | H362 | 121.3° | 123.7° |
| C36 | C37 | H372 | H371 | 122.0° | 120.8° |
| C37 | O38 | C34 | H341 | 89.4° | 94.6° |
| O38 | C37 | C36 | H361 | 132.4° | 96.8° |
| O38 | C37 | C36 | H362 | 106.8° | 139.6° |
| O38 | C37 | H372 | H371 | 122.0° | 121.0° |
| C33 | C32 | C39 | H321 | 123.9° | 120.1° |
| C33 | C32 | C39 | C40 | 162.4° | 175.0° |
| C32 | C33 | C34 | O38 | 170.2° | 66.4° |
| C32 | C33 | H331 | H332 | 119.3° | 120.0° |
| C32 | C33 | C34 | H341 | 50.8° | 55.6° |
| C33 | C32 | C39 | H1 | 42.7° | 55.0° |
| C33 | C32 | C39 | H391 | 77.9° | 65.0° |
| C33 | C32 | N31 | H311 | 77.3° | 25.1° |
| C32 | C39 | C40 | H1 | 119.7° | 119.9° |
| C32 | C39 | C40 | H391 | 119.7° | 120.0° |
| C32 | C39 | C40 | C41 | 47.3° | 178.2° |
| C32 | C39 | C40 | C44 | 150.3° | 66.5° |
| C39 | C32 | C33 | H331 | 43.8° | 65.0° |
| C39 | C32 | C33 | H332 | 163.4° | 55.0° |
| C32 | C39 | H1 | H391 | 121.0° | 119.9° |
| C32 | C39 | C40 | H2 | 51.9° | 55.8° |
| C39 | C32 | N31 | H311 | 43.3° | 94.9° |
| C39 | C40 | C41 | C44 | 164.5° | 118.8° |
| C39 | C40 | C41 | H2 | 99.2° | 122.3° |
| C39 | C40 | C41 | C42 | 164.6° | 134.2° |
| C39 | C40 | C44 | O43 | 161.4° | 116.5° |
| C39 | C40 | C44 | O45 | 17.3° | 63.5° |
| C39 | C40 | C44 | H2 | 98.3° | 122.2° |
| C40 | C39 | C32 | H321 | 38.5° | 55.0° |
| C40 | C39 | H1 | H391 | 121.0° | 120.1° |
| C39 | C40 | C41 | H411 | 45.2° | 16.0° |
| C39 | C40 | C41 | H412 | 76.0° | 107.5° |
| C40 | C41 | C42 | H411 | 119.4° | 118.2° |
| C40 | C41 | C42 | H412 | 119.4° | 118.2° |
| C40 | C41 | C42 | O43 | 4.0° | 26.9° |
| C41 | C40 | C44 | O43 | 3.9° | 2.2° |
| C41 | C40 | C44 | O45 | 177.4° | 177.7° |
| C41 | C40 | C44 | H2 | 96.4° | 119.0° |
| C41 | C40 | C39 | H1 | 167.0° | 61.9° |
| C41 | C40 | C39 | H391 | 72.4° | 58.2° |
| C40 | C41 | H411 | H412 | 121.7° | 123.5° |
| C40 | C41 | C42 | H422 | 123.8° | 145.6° |
| C40 | C41 | C42 | H421 | 115.7° | 92.0° |
| C41 | C42 | O43 | H422 | 119.7° | 118.7° |
| C41 | C42 | O43 | H421 | 119.7° | 118.8° |
| C41 | C42 | O43 | C44 | 6.5° | 30.6° |
| C42 | C41 | C40 | C44 | 0.1° | 15.4° |
| C42 | C41 | C40 | H2 | 96.2° | 103.5° |
| C42 | C41 | H411 | H412 | 121.6° | 123.7° |
| C41 | C42 | H422 | H421 | 120.8° | 122.4° |
| C42 | O43 | C44 | O45 | 174.8° | 159.2° |
| C42 | O43 | C44 | C40 | 6.5° | 20.8° |
| O43 | C42 | C41 | H411 | 115.4° | 91.3° |
| O43 | C42 | C41 | H412 | 123.4° | 145.1° |
| O43 | C42 | H422 | H421 | 120.8° | 122.6° |
| O43 | C44 | O45 | C40 | 178.5° | 180.0° |
| O43 | C44 | C40 | H2 | 100.3° | 121.3° |
| C44 | O43 | C42 | H422 | 126.3° | 149.3° |
| C44 | O43 | C42 | H421 | 113.2° | 88.2° |
| O45 | C44 | C40 | H2 | 81.0° | 58.7° |
| C17 | C11 | C10 | H102 | 142.0° | 30.0° |
| C17 | C11 | C10 | H101 | 20.7° | 150.0° |
| C17 | C11 | C12 | H121 | 178.9° | 179.5° |
| C11 | C17 | C16 | H161 | 179.1° | 180.0° |
| C28 | C23 | C22 | H222 | 153.1° | 30.0° |
| C28 | C23 | C22 | H221 | 33.6° | 150.0° |
| C28 | C23 | C24 | H241 | 178.9° | 180.0° |
| C23 | C28 | C27 | H271 | 180.0° | 179.4° |
| O38 | C34 | C33 | H331 | 50.0° | 173.5° |
| O38 | C34 | C33 | H332 | 69.5° | 53.6° |
| O38 | C34 | C35 | H352 | 140.2° | 154.3° |
| O38 | C34 | C35 | H351 | 98.8° | 81.5° |
| C34 | O38 | C37 | H372 | 93.3° | 117.9° |
| C34 | O38 | C37 | H371 | 145.3° | 121.3° |
| C44 | C40 | C39 | H1 | 30.6° | 53.5° |
| C44 | C40 | C39 | H391 | 90.0° | 173.6° |
| C44 | C40 | C41 | H411 | 119.3° | 102.8° |
| C44 | C40 | C41 | H412 | 119.5° | 133.7° |
| H102 | C10 | C09 | H091 | 69.7° | 175.0° |
| H101 | C10 | C09 | H091 | 168.9° | 65.0° |
| H131 | C13 | C12 | H121 | 0.6° | 0.1° |
| H171 | C17 | C16 | H161 | 0.9° | 0.2° |
| H241 | C24 | C25 | H251 | 0.6° | 0.1° |
| H261 | C26 | C25 | H251 | 0.3° | 0.1° |
| H261 | C26 | C27 | H271 | 0.6° | 0.3° |
| H281 | C28 | C27 | H271 | 0.0° | 0.0° |
| H013 | C01 | H012 | H011 | 119.9° | 120.0° |
| H013 | C01 | C02 | H021 | 60.7° | 174.6° |
| H012 | C01 | C02 | H021 | 179.2° | 65.5° |
| H011 | C01 | C02 | H021 | 59.3° | 54.5° |
| H021 | C02 | C03 | H032 | 60.7° | 179.9° |
| H021 | C02 | C03 | H033 | 59.3° | 60.1° |
| H021 | C02 | C03 | H031 | 179.3° | 59.9° |
| H021 | C02 | C04 | H042 | 176.3° | 66.6° |
| H021 | C02 | C04 | H041 | 62.7° | 173.4° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H042 | C04 | C05 | H051 | 59.3° | 174.4° |
| H041 | C04 | C05 | H051 | 179.7° | 65.5° |
| H051 | C05 | N06 | H061 | 117.8° | 148.4° |
| H091 | C09 | N18 | H181 | 177.4° | 145.0° |
| H321 | C32 | C33 | H331 | 167.9° | 175.0° |
| H321 | C32 | C33 | H332 | 72.5° | 65.0° |
| H321 | C32 | C39 | H1 | 81.2° | 65.1° |
| H321 | C32 | C39 | H391 | 158.2° | 174.9° |
| H321 | C32 | N31 | H311 | 164.3° | 145.1° |
| H331 | C33 | C34 | H341 | 69.5° | 64.5° |
| H332 | C33 | C34 | H341 | 171.0° | 175.6° |
| H341 | C34 | C35 | H352 | 21.0° | 35.4° |
| H341 | C34 | C35 | H351 | 142.0° | 159.6° |
| H352 | C35 | C36 | H361 | 4.4° | 33.9° |
| H352 | C35 | C36 | H362 | 116.4° | 89.6° |
| H351 | C35 | C36 | H361 | 125.4° | 158.1° |
| H351 | C35 | C36 | H362 | 4.6° | 34.6° |
| H361 | C36 | C37 | H372 | 13.1° | 22.7° |
| H361 | C36 | C37 | H371 | 108.3° | 143.5° |
| H362 | C36 | C37 | H372 | 133.9° | 100.8° |
| H362 | C36 | C37 | H371 | 12.5° | 20.0° |
| H1 | C39 | C40 | H2 | 67.8° | 175.7° |
| H391 | C39 | C40 | H2 | 171.6° | 64.2° |
| H2 | C40 | C41 | H411 | 144.4° | 138.3° |
| H2 | C40 | C41 | H412 | 23.2° | 14.8° |
| H411 | C41 | C42 | H422 | 4.4° | 27.5° |
| H411 | C41 | C42 | H421 | 124.9° | 149.8° |
| H412 | C41 | C42 | H422 | 116.8° | 96.1° |
| H412 | C41 | C42 | H421 | 3.7° | 26.2° |
